PDB ligand accession: TFD
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: BDLJLGRTYOMPEG-UHFFFAOYSA-N
SMILES: Cc1c(c(nc(n1)c2ccccn2)NCCNc3cccc(n3)C(F)(F)F)Cl
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Diazines
- Subclass: Pyrimidines and pyrimidine derivatives
- Class: Diazines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4IKS | Download | Experimental | e4iksA1 | Creatinase/aminopeptidase-like | LigPlot |